| Compound | (-)-Gossypol |
| NPACT-Id | NPACT00004 |
| IUPAC | 7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde |
| Synonyms | gossypol;(-)-Gossypol;(+)-Gossypol;racemic-Gossypol;(+-)-Gossypol;(+/-)-Gossypol |
| PubChem Id | 3503 |
| Class | Terpenoids |
| In-vitro anticancer activity | 2 cancer cell lines |
| In-Vivo anticancer activity | Yes |
| Targets | BBC3 | BCL2 | BCL2L1 | BCL2L11 | MCL1 | PMAIP1 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | QBKSWRVVCFFDOT-UHFFFAOYSA-N |
| InChi | 1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3 |
| SMILES | Oc1c(c2c(cc3c(c2O)c(c(O)c(O)c3C(C)C)C=O)C)c(cc2c1c(c(O)c(O)c2C(C)C)C=O)C |
|
SMART | [H]OC1=C(C([H])=O)C2=C(C([H])=C(C(=C2O[H])C2=C(O[H])C3=C(C([H])=C2C([H])([H])[H])C(=C(O[H])C(O[H])=C3C([H])=O)[C@]([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C(=C1O[H])[C@]([H])(C([H])([H])[H])C([H])([H])[H] |
| CAS No. | 303-45-7 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | D006072 |
| HIT | C0269 |
| NCI-60 GI50 data | 303-45-7 |
| Suppliers | AAA Chemistry, ABI Chem, AKos Consulting & Solutions, Amadis Chemical, Ambinter, ChemMol, Hangzhou APIChem Technology, MolPort, MP
Biomedicals, Selleck Chemicals, Sigma-Aldrich, TimTec, Vitas-M Laboratory, ZINC, |
| Drug-Likeliness Filters | Lipinski's rule of five | No |
| Ghose filter | No |
| Veber filter | No |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |